Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C(NH₂)H₂C(CH₃)HCH₃ (1-Propanamine, 2-methyl-)

using model chemistry: MP2/6-31+G**

States and conformations

Geometric Data calculated at MP2/6-31+G**

Point Group is C₁

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
N1	-1.996	-0.031	-0.187
H2	-2.798	-0.604	0.057
H3	-2.115	0.851	0.301
C4	-0.757	-0.695	0.235
H5	-0.639	-0.750	1.328
H6	-0.790	-1.722	-0.136
C7	1.732	-0.769	0.027
H8	1.869	-0.780	1.111
H9	1.684	-1.803	-0.318
H10	2.614	-0.306	-0.416
C11	0.560	1.448	0.110
H12	1.456	1.924	-0.291
H13	-0.299	2.029	-0.226
H14	0.612	1.503	1.201
C15	0.469	-0.003	-0.349
H16	0.355	-0.014	-1.438

Atom - Atom Distances (Å)

	N1	H2	H3	C4	H5	H6	C7	H8	H9	H10	C11	H12	H13	H14	C15	H16
N1		1.0152	1.0152	1.4676	2.1568	2.0778	3.8065	4.1458	4.0869	4.6242	2.9682	3.9683	2.6696	3.3294	2.4707	2.6630
H2	1.0152		1.6265	2.0509	2.5098	2.3067	4.5332	4.7884	4.6549	5.4411	3.9359	4.9604	3.6413	4.1693	3.3467	3.5385
H3	1.0152	1.6265		2.0591	2.4077	2.9274	4.1832	4.3809	4.6758	4.9210	2.7471	3.7747	2.2273	2.9450	2.7979	3.1415
C4	1.4676	2.0509	2.0591		1.1007	1.0923	2.4987	2.7701	2.7372	3.4553	2.5186	3.4684	2.8007	2.7645	1.5243	2.1205
H5	2.1568	2.5098	2.4077	1.1007		1.7637	2.7041	2.5178	3.0353	3.7174	2.7841	3.7624	3.2020	2.5805	2.1443	3.0292
H6	2.0778	2.3067	2.9274	1.0923	1.7637		2.7005	3.0844	2.4817	3.6973	3.4544	4.2844	3.7843	3.7626	2.1414	2.4334
C7	3.8065	4.5332	4.1832	2.4987	2.7041	2.7005		1.0926	1.0912	1.0906	2.5096	2.7257	3.4673	2.7921	1.5247	2.1480
H8	4.1458	4.7884	4.3809	2.7701	2.5178	3.0844	1.0926		1.7672	1.7638	2.7717	3.0738	3.7925	2.6081	2.1676	3.0624
H9	4.0869	4.6549	4.6758	2.7372	3.0353	2.4817	1.0912	1.7672		1.7657	3.4671	3.7342	4.3165	3.7934	2.1726	2.4950
H10	4.6242	5.4411	4.9210	3.4553	3.7174	3.6973	1.0906	1.7638	1.7657		2.7520	2.5155	3.7386	3.1455	2.1675	2.4971
C11	2.9682	3.9359	2.7471	2.5186	2.7841	3.4544	2.5096	2.7717	3.4671	2.7520		1.0907	1.0902	1.0935	1.5247	2.1390
H12	3.9683	4.9604	3.7747	3.4684	3.7624	4.2844	2.7257	3.0738	3.7342	2.5155	1.0907		1.7593	1.7649	2.1650	2.5059
H13	2.6696	3.6413	2.2273	2.8007	3.2020	3.7843	3.4673	3.7925	4.3165	3.7386	1.0902	1.7593		1.7730	2.1759	2.4638
H14	3.3294	4.1693	2.9450	2.7645	2.5805	3.7626	2.7921	2.6081	3.7934	3.1455	1.0935	1.7649	1.7730		2.1662	3.0547
C15	2.4707	3.3467	2.7979	1.5243	2.1443	2.1414	1.5247	2.1676	2.1726	2.1675	1.5247	2.1650	2.1759	2.1662		1.0943
H16	2.6630	3.5385	3.1415	2.1205	3.0292	2.4334	2.1480	3.0624	2.4950	2.4971	2.1390	2.5059	2.4638	3.0547	1.0943

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	C4	H5	113.461		N1	C4	H6	107.615
N1	C4	C15	111.322		H2	N1	H3	106.460
H2	N1	C4	110.052		H3	N1	C4	110.741
C4	C15	C7	110.070		C4	C15	C11	111.391
C4	C15	H16	107.001		H5	C4	H6	107.071
H5	C4	C15	108.469		H6	C4	C15	108.724
C7	C15	C11	110.771		C7	C15	H16	109.096
H8	C7	H9	108.039		H8	C7	H10	107.783
H8	C7	C15	110.748		H9	C7	H10	108.050
H9	C7	C15	111.228		H10	C7	C15	110.859
C11	C15	H16	108.398		H12	C11	H13	107.545
H12	C11	H14	107.805		H12	C11	C15	110.653
H13	C11	H14	108.571		H13	C11	C15	111.552
H14	C11	C15	110.580